Model name: model_name=Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.165284737944603
cohesive_energy=3.7494615012842694
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.2746800988992e-21, 1.480420822875804e-20, 4.13912720334096e-20, 8.65058423465718e-20, 1.47774358572039e-19, 2.2142241299543397e-19, 3.03825561635322e-19, 3.92924206428696e-19, 4.71618316160874e-19, 4.842482745666959e-19, 4.99901540280876e-19, 5.14854654805998e-19, 5.287839784619939e-19, 5.4157575670785e-19, 5.53157891595036e-19, 5.634839200011659e-19, 5.72531411453364e-19, 5.8029235506846e-19, 5.8677315955299e-19, 5.91985040143392e-19, 5.959472229592739e-19, 5.986821384735119e-19, 6.00217023688884e-19, 6.00683257089378e-19, 6.000744299684579e-19, 5.98090935295566e-19, 5.94465209572824e-19, 5.88873613120164e-19, 5.80934827898694e-19, 5.701954379209919e-19, 5.56109100954864e-19, 5.38012515873834e-19, 5.15104594360902e-19, 4.864064064926939e-19, 4.50709911087174e-19, 4.0651547081491797e-19, 3.51945334660878e-19, 2.8461546379366197e-19, 2.0147050737223197e-19, 9.8545879315755e-20, -2.93810355496188e-20, -1.8930197583700198e-19, -3.88329163842384e-19, -6.39550460053584e-19, -9.600242390927999e-19, -1.3736405567496058e-18, -1.91545023124602e-18, -2.6390572862257794e-18, -3.62763231293646e-18, -5.026124231456039e-18, -7.095960203154299e-18, -1.0342114259535359e-17, -1.586597068410984e-17, -2.63844845910486e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.013339599725484238
Energy: 0.5521772859834133
Energy: 0.81669298415671
Energy: 0.8149384024996407
Energy: 0.81524345537334
Energy: 0.34520942900501117
Energy: 0.01556395990327562
Energy: 0.1284114380060011
Energy: 1.0353066946177416
Energy: 0.25533221024497005
Energy: 0.7734334660499229
Energy: 0.6570681639675424
Energy: 0.015950228685000928
Energy: 0.1278500175260875
Energy: 0.01422248859607804
Energy: 0.8154676848035063
Energy: 0.7733703591023809
Energy: 0.7745275294955497
Energy: 0.6591876611445098
Energy: 0.1279170949951417
Energy: 0.12908044808126787
Energy: 0.013511499688145866
Energy: 0.5516410404840354
Energy: 1.022092060277422
Energy: 0.8149541484709432
Energy: 0.8156151838791177
Energy: 0.12861011165791753
Energy: 0.01554003010268314
Energy: 0.34135939691846656
Energy: 1.0349205430132693
Energy: 0.2553486898051774
Energy: 0.5535097954464493
Energy: 0.5519808802175519
Energy: 0.015786449633939187
Energy: 0.12795257077545721
Energy: 0.014145516764257616
Energy: 0.7739460005237279
Energy: 0.7735252488658306
Energy: 0.7747898035463144
Energy: 0.6593533477601807
Energy: 0.12790630638838793
Energy: 0.1293138701431069

minimum gb energy = 0.013339599725484238 eV
minimum distance =  2.92080829430611 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.3391420673852836
Energy: 1.5663248352557968
Energy: 1.367364986331567
Energy: 1.4586617199638372
Energy: 1.4072711799606172
Energy: 1.41230808631526
Energy: 1.4343923726658887
Energy: 1.2212574460567538
Energy: 1.3232312230634582
Energy: 1.2042437521269005
Energy: 1.4191317185785721
Energy: 1.3102696951865902
Energy: 1.2867639083042357
Energy: 1.4788406585987155
Energy: 1.2275046739287245
Energy: 1.5168503587551347
Energy: 1.2055841978087793
Energy: 1.3720591734088152
Energy: 1.407272725322253
Energy: 1.2953913718243715
Energy: 1.5072315625915305
Energy: 1.204316144995294
Energy: 1.4190655783780954
Energy: 1.259070970478366
Energy: 1.4325345765788833
Energy: 1.4117427261270097
Energy: 1.344273437533312
Energy: 1.4848766774778
Energy: 1.4297832402447637
Energy: 1.427688736167434
Energy: 1.3437963530802177
Energy: 1.384259299403942
Energy: 1.414541745785902
Energy: 1.4241234300676613
Energy: 1.5516345976027786
Energy: 1.340301369299515
Energy: 1.443953618027884
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Energy: 1.3375078963521347
Energy: 1.352507665058349
Energy: 1.3156795868793836
Energy: 1.4944375390772682
Energy: 1.2516396498632514
Energy: 1.4425809097071611
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Energy: 1.460026237834472
Energy: 1.4412251464676593
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Energy: 1.5649651895403747
Energy: 1.2632923815453092
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Energy: 1.1987134590445228
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Energy: 1.477144795688058
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Energy: 1.4848935270146675
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Energy: 1.3149080401007114
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Energy: 1.347054900426276
Energy: 1.4828305052621913
Energy: 1.3940305667893218
Energy: 1.455525255496221
Energy: 1.304217297621
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Energy: 1.3011026569687487
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Energy: 1.3278948961972858
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Energy: 1.484342936264369
Energy: 1.3167764305934173
Energy: 1.4295015139631286
Energy: 1.3796754618780391
Energy: 1.3267487790687205
Energy: 1.3894929944164476
Energy: 1.2692560317404915
Energy: 1.474067581715285
Energy: 1.2986999523482816
Energy: 1.3771860895309047
Energy: 1.4559250288538435
Energy: 1.3792579566763425
Energy: 1.4654569614819217
Energy: 1.263606202973061
Energy: 1.3959671620497858
Energy: 1.288083373913049
Energy: 1.4234874276802083
Energy: 1.3478550407706862
Energy: 1.2652357633228208
Energy: 1.4595976869838134
Energy: 1.3487592071143222
Energy: 1.4112292038968386
Energy: 1.359967121563583
Energy: 1.4082448424560892
Energy: 1.3405186825341446
Energy: 1.382992877758809
Energy: 1.475772405488805
Energy: 1.2002388320138955
Energy: 1.364647458929264
Energy: 1.2486222263427507
Energy: 1.3480863576563922
Energy: 1.3506939150542052
Energy: 1.3589066997827854
Energy: 1.423899827174135
Energy: 1.434331879760085
Energy: 1.4296699503359476
Energy: 1.3644741904071522
Energy: 1.3422213917833985
Energy: 1.5153829630989761
Energy: 1.374570166999503
Energy: 1.419325018045029
Energy: 1.2755310240640136
Energy: 1.3719738309820282
Energy: 1.3427076173358201
Energy: 1.4703784651142227
Energy: 1.3896259310059953
Energy: 1.2906162005554414
Energy: 1.4285165296623756
Energy: 1.3391559834048363
Energy: 1.4162587556654211
Energy: 1.4286566628461728
Energy: 1.403789913186453
Energy: 1.3774009895054689
Energy: 1.3545912671582636
Energy: 1.3036288412301147

minimum gb energy = 1.198269660059326 eV
minimum distance =  2.65754653144026 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.2512833613467949
Energy: 1.3892952041727158
Energy: 1.4181379690967089
Energy: 1.568311819939366
Energy: 1.3800095214137014
Energy: 1.303039389029849
Energy: 1.258932437493618
Energy: 1.258360461683316
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Energy: 1.3049469506989895
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Energy: 1.5391180655083083
Energy: 1.3723504387881482
Energy: 1.3889677168974606
Energy: 1.227356652442398
Energy: 1.2712722892996167
Energy: 1.3027861695102612
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Energy: 1.3837767626407282
Energy: 1.291787050301266
Energy: 1.4785807137845994
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Energy: 1.2972573564651486
Energy: 1.3273023419251477
Energy: 1.2698554260676043
Energy: 1.3346250834264157
Energy: 1.2991519624493157
Energy: 1.5009945854188742
Energy: 1.3765922875478451
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Energy: 1.274900823576458
Energy: 1.2753305683161433
Energy: 1.3520462604544423
Energy: 1.3562533383183384
Energy: 1.365660546755765
Energy: 1.3506111761989832
Energy: 1.2730709567727585
Energy: 1.2975957857056366
Energy: 1.3704361983422864
Energy: 1.3079795510562482
Energy: 1.2323271211136115
Energy: 1.3827812765855707
Energy: 1.4148007105287403
Energy: 1.4490106259657412
Energy: 1.36740484135914
Energy: 1.3959380869190237
Energy: 1.221496129838913
Energy: 1.231393236383157
Energy: 1.4744174503664196
Energy: 1.2422882246862388
Energy: 1.3241653024015796
Energy: 1.2979795095794697
Energy: 1.2864282943084449
Energy: 1.349723755919293
Energy: 1.3423783849783475
Energy: 1.4118996976215068
Energy: 1.2681986084840584
Energy: 1.3014376969460868
Energy: 1.3977586793929735
Energy: 1.4478229399035705
Energy: 1.2615551308710853
Energy: 1.2292832864839194
Energy: 1.2935422840782975
Energy: 1.2248237830441997
Energy: 1.251803640185247
Energy: 1.3668953922037823
Energy: 1.4089994741585836
Energy: 1.284412881738644
Energy: 1.2811256834213147
Energy: 1.2266909280925
Energy: 1.228571126380824
Energy: 1.258763832239365
Energy: 1.4353526979529734
Energy: 1.4569814052766077
Energy: 1.426989762625074
Energy: 1.385730008128839
Energy: 1.2256682578949802
Energy: 1.265939216999171
Energy: 1.263364974855918
Energy: 1.2728292873505356
Energy: 1.2809789102795046
Energy: 1.288400064751076
Energy: 1.2882910718606484
Energy: 1.3783807707427898
Energy: 1.4136766911589038
Energy: 1.4948691349045296
Energy: 1.3434407194661568
Energy: 1.42181752317486
Energy: 1.3288768304334522
Energy: 1.3763226263584953
Energy: 1.443615078582781
Energy: 1.2921465961556278
Energy: 1.3201788306941944
Energy: 1.2440523382630355
Energy: 1.270382564216382
Energy: 1.2778278263192804
Energy: 1.2373281428214074
Energy: 1.4090924473813111
Energy: 1.3917852000908624
Energy: 1.373305517923013
Energy: 1.273901350065991
Energy: 1.269524810294396
Energy: 1.3483589669117653
Energy: 1.3560596065155088
Energy: 1.3726938877509671
Energy: 1.3571802116550802
Energy: 1.2926923717974026
Energy: 1.3018464721913694
Energy: 1.4030921689194795
Energy: 1.3094141399446717
Energy: 1.3460444228764936
Energy: 1.539106420602249
Energy: 1.4258343102855116
Energy: 1.4682150773795961
Energy: 1.3516762762953505
Energy: 1.388574663304897
Energy: 1.3105218681171136
Energy: 1.4018350316931945
Energy: 1.3680391416342308
Energy: 1.2443329214960952
Energy: 1.311279367363333
Energy: 1.2634756300121248
Energy: 1.3107773299298913
Energy: 1.2998887515938027
Energy: 1.3604728870540883
Energy: 1.370735103132622
Energy: 1.2810240754843605
Energy: 1.3536959572843312
Energy: 1.3965315894288182
Energy: 1.4485348859042027
Energy: 1.3849516861390379
Energy: 1.2859460612577094
Energy: 1.3438407444916078
Energy: 1.305383730084079
Energy: 1.2342844168375624
Energy: 1.285823255662304
Energy: 1.5764728177507308
Energy: 1.3061162440672174
Energy: 1.2712381082499808
Energy: 1.3409063594379165

minimum gb energy = 1.2167534970373974 eV
minimum distance =  2.63224361332189 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.348253722962572
Energy: 1.2742135589513608
Energy: 1.4458211888657235
Energy: 1.286679484583874
Energy: 1.38136510436922
Energy: 1.2945518740014392
Energy: 1.3372682883355846
Energy: 1.3010160667050423
Energy: 1.4355842332530808
Energy: 1.3167433999717446
Energy: 1.3527256124142337
Energy: 1.364908051510181
Energy: 1.3060771484700564
Energy: 1.4576383345388557
Energy: 1.365583915450556
Energy: 1.322024861989544
Energy: 1.3267664081983204
Energy: 1.4327407328851596
Energy: 1.2710475048975025
Energy: 1.289769961048644
Energy: 1.432506315514227
Energy: 1.302871536149034
Energy: 1.3311959715258266
Energy: 1.3697901870457196
Energy: 1.3162753128399145
Energy: 1.3657672920665949
Energy: 1.2888202523482595
Energy: 1.3337120670797598
Energy: 1.293237268598665
Energy: 1.3881704067464415
Energy: 1.3677239851231613
Energy: 1.4117327982558456
Energy: 1.3977877649008221
Energy: 1.4192427965815049
Energy: 1.3713184736001178
Energy: 1.3206811868725021
Energy: 1.3878572779215943
Energy: 1.325593600576021
Energy: 1.3906496479418227
Energy: 1.3650187211765443
Energy: 1.3417680363210405
Energy: 1.373346326722996
Energy: 1.3524407292557423
Energy: 1.4427961384498833
Energy: 1.370074501429451
Energy: 1.4739497034917235
Energy: 1.275627422441244
Energy: 1.3291770120821316
Energy: 1.4366490803985015
Energy: 1.3056389606595935
Energy: 1.389896640491027
Energy: 1.2960408939753127
Energy: 1.315447773210601
Energy: 1.4533356597082001
Energy: 1.3457181340657471
Energy: 1.333904673271028
Energy: 1.3844114640911434
Energy: 1.4394894353842516
Energy: 1.295696554758284
Energy: 1.470809482516964
Energy: 1.2613412153882064
Energy: 1.307609124051648
Energy: 1.2812369013424767
Energy: 1.3244464617251273
Energy: 1.4933862242412927
Energy: 1.3865513669821603
Energy: 1.3077567890112958
Energy: 1.3421154592446383
Energy: 1.3007872616979037
Energy: 1.405693311416726
Energy: 1.3430784681599952
Energy: 1.3547422844767139
Energy: 1.4020579840650556
Energy: 1.4267910862582356
Energy: 1.404721247481465
Energy: 1.273135557196822
Energy: 1.3081570069221415
Energy: 1.284087206337955
Energy: 1.3875688900283305
Energy: 1.3379240045083676
Energy: 1.350970133139924
Energy: 1.3340281986111917
Energy: 1.3779347277528637
Energy: 1.3284526669005563
Energy: 1.3612153682075194
Energy: 1.2655536962730995
Energy: 1.3966074198306853
Energy: 1.4699508284292524
Energy: 1.3444180969194592
Energy: 1.32829310718171
Energy: 1.4433713016002054
Energy: 1.331830079664998
Energy: 1.4224056445509776
Energy: 1.3184513348520805
Energy: 1.392683609743348
Energy: 1.4603431740197317
Energy: 1.389358503709338
Energy: 1.4198397657657882
Energy: 1.376597833308065
Energy: 1.305776281735515
Energy: 1.353402841960291
Energy: 1.432562037163222
Energy: 1.310727144298191
Energy: 1.3838489505197773
Energy: 1.2605612507570183
Energy: 1.2825245686513362
Energy: 1.3981657924989292
Energy: 1.3016395725282501
Energy: 1.3362140914469802
Energy: 1.4181663168737586
Energy: 1.351078271017924
Energy: 1.3429298087010877
Energy: 1.4481753982346632
Energy: 1.3852198653172634
Energy: 1.34987493242567
Energy: 1.4444292322665846
Energy: 1.399551521747437
Energy: 1.3718112992670808
Energy: 1.3862583378574955
Energy: 1.3054844831250403
Energy: 1.3611094011339637
Energy: 1.3369261360836848
Energy: 1.397775442050075
Energy: 1.2984822398166151
Energy: 1.340200657401662
Energy: 1.3944215943521256
Energy: 1.3293527968303267
Energy: 1.4153952730216304
Energy: 1.4176144218480022
Energy: 1.4303625531857929
Energy: 1.4348845958274212
Energy: 1.3700470691699231
Energy: 1.4166207390361867
Energy: 1.3239534752906819
Energy: 1.4693475674911505
Energy: 1.3351723017805113
Energy: 1.3140422201023079
Energy: 1.4553650251493953
Energy: 1.3721208959710853
Energy: 1.4826838139930085
Energy: 1.3501064389568567
Energy: 1.4086395601037915
Energy: 1.3791061256321095
Energy: 1.486778864641383
Energy: 1.3138400595453177
Energy: 1.3608965895170027
Energy: 1.4232090712011536
Energy: 1.28132922661699
Energy: 1.3341872314889434
Energy: 1.2951246031727182
Energy: 1.3498005261322632
Energy: 1.3820248880022903
Energy: 1.2834238964195406
Energy: 1.3522432865167684
Energy: 1.3875948734743135
Energy: 1.4053980164474176
Energy: 1.3254101468986013
Energy: 1.3637887421565578
Energy: 1.3891915366055083
Energy: 1.2859377878904137
Energy: 1.4172857341319451
Energy: 1.3053281509221717
Energy: 1.399699364539048
Energy: 1.3089530977750703
Energy: 1.3845967486146007
Energy: 1.3679133811954942
Energy: 1.2961280851836061
Energy: 1.3588436874927232
Energy: 1.3533943704021185
Energy: 1.4175542095496914
Energy: 1.3802202768534273
Energy: 1.4438727008493284
Energy: 1.3710357909651492
Energy: 1.3174525252751577
Energy: 1.3944245766245273
Energy: 1.347735384137782
Energy: 1.4367474523511035
Energy: 1.3225620317460849
Energy: 1.3776771870160862
Energy: 1.4634672233880406
Energy: 1.3735394454040504
Energy: 1.4636506497089015
Energy: 1.2745898454770326
Energy: 1.4430815955093392
Energy: 1.3637557095816792
Energy: 1.425575923103631
Energy: 1.4217876947763095
Energy: 1.2832773380577653
Energy: 1.3419428081277027
Energy: 1.340516167699792
Energy: 1.3747663527409844
Energy: 1.340403420255725
Energy: 1.4347291415735877
Energy: 1.3516218592383187
Energy: 1.2856219462620506
Energy: 1.3730103633498403
Energy: 1.3011978972345577
Energy: 1.417313935223307
Energy: 1.3548968677190971
Energy: 1.4339259154939048
Energy: 1.4016221068866863
Energy: 1.3625838571964182
Energy: 1.3607750083189196
Energy: 1.3290037663658443
Energy: 1.3699133606525986
Energy: 1.3212204712219213
Energy: 1.323419975409904
Energy: 1.401150906752144
Energy: 1.3506493607434744
Energy: 1.3884300519210082
Energy: 1.3821810108703545
Energy: 1.4360277788807474
Energy: 1.3577433909143861
Energy: 1.4400535601377933
Energy: 1.3118175389803566
Energy: 1.3824780840930246
Energy: 1.3965645408300347
Energy: 1.3346787104779982
Energy: 1.3791629407128816
Energy: 1.3173258834811004
Energy: 1.309064984291702
Energy: 1.479559072317081
Energy: 1.3420343992415882
Energy: 1.3708276570276126
Energy: 1.2703707586561346
Energy: 1.312270074967427
Energy: 1.3684203272922935
Energy: 1.4410309201884932
Energy: 1.3886250423862778
Energy: 1.3006488731606798
Energy: 1.339079658085562
Energy: 1.3298383548733013
Energy: 1.3731505067928038
Energy: 1.3477569145540413
Energy: 1.4028191430235053
Energy: 1.309515011007451
Energy: 1.3678346777270591
Energy: 1.3879961449338736
Energy: 1.2730703318682497
Energy: 1.3872338014059498
Energy: 1.3847413528919643
Energy: 1.415963753189638
Energy: 1.3276515394402124
Energy: 1.3813235732620257
Energy: 1.3637879512741293
Energy: 1.3461374349119954
Energy: 1.4341902274533962
Energy: 1.3933645355587156
Energy: 1.2912002781306495
Energy: 1.3766645014173269
Energy: 1.2820421448222767
Energy: 1.3610720915349008

minimum gb energy = 1.2605612507570183 eV
minimum distance =  2.62613359322013 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.2832107451229884
Energy: 1.3072307029619818
Energy: 1.4090251333892254
Energy: 1.503810649688005
Energy: 1.3576244818764578
Energy: 1.3767544784104064
Energy: 1.2869572600536971
Energy: 1.251974529705074
Energy: 1.2979623187600036
Energy: 1.2828698980262703
Energy: 1.2447763966870187
Energy: 1.2402637390785072
Energy: 1.245806774438561
Energy: 1.4373319407521772
Energy: 1.2448674001610385
Energy: 1.2668234564399916
Energy: 1.271160181736691
Energy: 1.227428750909792
Energy: 1.238049688475266
Energy: 1.2468977101749603
Energy: 1.2461609456870733
Energy: 1.2496690684324763
Energy: 1.2382123744549065
Energy: 1.3174788777463642
Energy: 1.3008506177267423
Energy: 1.2283810900377525
Energy: 1.2960486207029234
Energy: 1.3829849372961667
Energy: 1.244326903209678
Energy: 1.2409938114507608
Energy: 1.2282931912164445
Energy: 1.3965205469106472
Energy: 1.297544090255852
Energy: 1.3584399718564932
Energy: 1.247555084343924
Energy: 1.2184438775962831
Energy: 1.2392819951175056
Energy: 1.2643040815211266
Energy: 1.3399573180185365
Energy: 1.296265441483794
Energy: 1.2488617319758133
Energy: 1.3627207637154701
Energy: 1.3684803980736997
Energy: 1.2599569714948298
Energy: 1.2572745747043057
Energy: 1.3895085081073975
Energy: 1.2196888707421971
Energy: 1.2332223150979822
Energy: 1.367420557785753
Energy: 1.2158647671934935
Energy: 1.2941594293610832
Energy: 1.3984448377425287
Energy: 1.3397379314249023
Energy: 1.2898100946848465
Energy: 1.2948351617928089
Energy: 1.3627623449321016
Energy: 1.2166820981074205
Energy: 1.2947788984682065
Energy: 1.3357949994656964
Energy: 1.2693965577860589
Energy: 1.237727590217161
Energy: 1.32730805005694
Energy: 1.3634860222563983
Energy: 1.4042391571310242
Energy: 1.3023649221232032
Energy: 1.2983585285526502
Energy: 1.2281457012989103
Energy: 1.2552479614963807
Energy: 1.2502642084989142
Energy: 1.2641082795063736
Energy: 1.2576410718086803
Energy: 1.2532848979848954
Energy: 1.2884209745477713
Energy: 1.2444342509929043
Energy: 1.2372324624406466
Energy: 1.2611754478621804
Energy: 1.385301350121347
Energy: 1.261391259435248
Energy: 1.2539960356276454
Energy: 1.2873772320976093
Energy: 1.299426476832329
Energy: 1.244787649826999
Energy: 1.2852780416863012
Energy: 1.2610867211493864
Energy: 1.2128030060979837
Energy: 1.2377012386496085
Energy: 1.2277248559426774
Energy: 1.2959723530427627
Energy: 1.2881687080389554
Energy: 1.359475971172491
Energy: 1.2446227399950274
Energy: 1.413224354405135
Energy: 1.2441186328998985
Energy: 1.2835443811611043
Energy: 1.3365534908588534
Energy: 1.2428247950641742
Energy: 1.211240409297167
Energy: 1.3625448253156094
Energy: 1.2255119914752788
Energy: 1.3149894236737252
Energy: 1.3596038531761487
Energy: 1.3359755031525682
Energy: 1.2201953110264143
Energy: 1.2122439524432762
Energy: 1.4152526362243938
Energy: 1.2096707309613957
Energy: 1.3895399695634363
Energy: 1.339383493441908
Energy: 1.353240245727045
Energy: 1.321230083385509
Energy: 1.3772715827467266
Energy: 1.286595068943289
Energy: 1.2518714986252213
Energy: 1.295066997886848
Energy: 1.2989254299301416
Energy: 1.2447155424873997
Energy: 1.2405824127870948
Energy: 1.2464292370123757
Energy: 1.2503227659811984
Energy: 1.245520024852067
Energy: 1.2634439799477146
Energy: 1.2717914312540983
Energy: 1.2271588549754875
Energy: 1.2419197962165232
Energy: 1.2459852592188132
Energy: 1.2463047468419322
Energy: 1.2669522717329316
Energy: 1.2373288277966041
Energy: 1.301919380945649
Energy: 1.3015026632667352
Energy: 1.2441712375519922
Energy: 1.2963051522895914
Energy: 1.3836620332661025
Energy: 1.2446445396290287
Energy: 1.2438952000490848
Energy: 1.2282162754743466
Energy: 1.393257530074048
Energy: 1.2974154422445707
Energy: 1.3760450001467393
Energy: 1.2467927896091704
Energy: 1.22214648687223
Energy: 1.2389241125241701
Energy: 1.2644300467212948
Energy: 1.339909548333563
Energy: 1.2956843457946203
Energy: 1.2147044220790046
Energy: 1.363660694403738
Energy: 1.4810203728521838
Energy: 1.2695415616527335
Energy: 1.257433059374891
Energy: 1.3892115082980514
Energy: 1.2265886692022192
Energy: 1.229729375591151
Energy: 1.4154597707133914
Energy: 1.2153327227727737
Energy: 1.2937139602735062
Energy: 1.3982097014621349
Energy: 1.3139953630129093
Energy: 1.289796574239772
Energy: 1.3469840634708397
Energy: 1.3621648929564603
Energy: 1.217438996835109
Energy: 1.294949152884834
Energy: 1.3356487220058904
Energy: 1.2688520019026324
Energy: 1.2372605652134399
Energy: 1.3264276172416116
Energy: 1.363565303175742
Energy: 1.4042796531700439
Energy: 1.2988961302460043
Energy: 1.2970412891784002
Energy: 1.228091435813647
Energy: 1.2550906642736537
Energy: 1.2499912306659895
Energy: 1.2442215337286398
Energy: 1.257897549943957
Energy: 1.2531612120336788
Energy: 1.3026639724458553
Energy: 1.2808771956957694
Energy: 1.2407497895595072
Energy: 1.295369411657601
Energy: 1.3855160256688035
Energy: 1.3006419977350965
Energy: 1.2538894364381878
Energy: 1.2882553589662677
Energy: 1.2995621350174136
Energy: 1.2448606657147638
Energy: 1.283462034622399
Energy: 1.287099116170772
Energy: 1.2132468159033527
Energy: 1.2422486979858087
Energy: 1.2274259713432711
Energy: 1.295931569286868
Energy: 1.2881092653950021
Energy: 1.3596280516605517
Energy: 1.2480434104438107
Energy: 1.4807203074063369
Energy: 1.2386492727758354
Energy: 1.2833329132926465
Energy: 1.336750048801085
Energy: 1.2414437790199147
Energy: 1.2234801416409564
Energy: 1.3576879764975496
Energy: 1.2249303331714831
Energy: 1.3141752697359248
Energy: 1.3587658890628411
Energy: 1.339704954565456
Energy: 1.2427161959009023
Energy: 1.212850408648033
Energy: 1.4182219257936364

minimum gb energy = 1.2096707309613957 eV
minimum distance =  2.68531033420995 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.4898249209844905
Energy: 1.3306162201077716
Energy: 1.4921471651399614
Energy: 1.5539534993423219
Energy: 1.2893542886753682
Energy: 1.360438946197535
Energy: 1.3860696205989134
Energy: 1.2505784574933125
Energy: 1.3754641798795484
Energy: 1.3609248693370475
Energy: 1.4164504749340951
Energy: 1.3792267479351419
Energy: 1.3179084425129675
Energy: 1.5248927485237846
Energy: 1.3589765143242516
Energy: 1.4036663875222812
Energy: 1.266982949507585
Energy: 1.304921298306304
Energy: 1.3039116420511718
Energy: 1.324485472604629
Energy: 1.4532885701443976
Energy: 1.4092917682432413
Energy: 1.3809303887206248
Energy: 1.2796048434759202
Energy: 1.415280774170891
Energy: 1.2996198100216139
Energy: 1.23897312902124
Energy: 1.4572499734203412
Energy: 1.1958475657510332
Energy: 1.3008082820994917
Energy: 1.2785997285996051
Energy: 1.2865524104358768
Energy: 1.4118742440978482
Energy: 1.2406589567522985
Energy: 1.3065399911378262
Energy: 1.1703517053141776
Energy: 1.2419771623564564
Energy: 1.298859149657545
Energy: 1.3353902947592924
Energy: 1.3324692581265354
Energy: 1.1936114103638036
Energy: 1.2487125199467968
Energy: 1.1930964126207333
Energy: 1.3638088826951922
Energy: 1.2389335884802637
Energy: 1.2480619769494117
Energy: 1.2312122172978464
Energy: 1.171326076649116
Energy: 1.3217581775511877
Energy: 1.2382417849611385
Energy: 1.2781352423495267
Energy: 1.268381908041568
Energy: 1.358011176991558
Energy: 1.239781117494393
Energy: 1.1958128772648215
Energy: 1.3184326690510926
Energy: 1.2411875454484305
Energy: 1.3119866006607668
Energy: 1.2783045801080852
Energy: 1.4437409647801975
Energy: 1.3805350065180708
Energy: 1.4581918639450124
Energy: 1.377155823436248
Energy: 1.2880640223104471
Energy: 1.3565767546318517
Energy: 1.2703640528680038
Energy: 1.3677295510786533
Energy: 1.2964935064668301
Energy: 1.3595469757674168
Energy: 1.4740334584056136
Energy: 1.3358930991322133
Energy: 1.2797820397367297
Energy: 1.242488690617937
Energy: 1.2875782114090129
Energy: 1.4585068201770162
Energy: 1.17067988045064
Energy: 1.4434087485120735
Energy: 1.3584078176151502
Energy: 1.3279679045563915
Energy: 1.4523824036152273
Energy: 1.3957950367388163
Energy: 1.4867264959365842
Energy: 1.2973526732647773
Energy: 1.4773757683927669
Energy: 1.344320644959669
Energy: 1.308782186552733
Energy: 1.3226715787192658
Energy: 1.453186104173332
Energy: 1.2960852023419782
Energy: 1.322365683948367
Energy: 1.4482310503019071
Energy: 1.3487713472747498
Energy: 1.3753863831717488
Energy: 1.3574728141774373
Energy: 1.2788684834078956
Energy: 1.3806312842705661
Energy: 1.3894155856322519
Energy: 1.387800229435539
Energy: 1.358282905665183
Energy: 1.3276912260231397
Energy: 1.3330646273879632
Energy: 1.440479665275337
Energy: 1.4737140085316758
Energy: 1.450406605918605
Energy: 1.477720396447444
Energy: 1.3449121096706362
Energy: 1.3803496621307554
Energy: 1.260322890444942
Energy: 1.3733729563993602
Energy: 1.304764672245196
Energy: 1.3295167413565059
Energy: 1.3646246781941205
Energy: 1.1951799856014498
Energy: 1.240159571833127
Energy: 1.240971403166818
Energy: 1.306420180900233
Energy: 1.2520528040632837
Energy: 1.2300025790805829
Energy: 1.3199218382036397
Energy: 1.172016600420486
Energy: 1.2390154777266427
Energy: 1.2582303304785678
Energy: 1.3362265755725087
Energy: 1.3315929625074068
Energy: 1.3232426012712681
Energy: 1.2901161558732228
Energy: 1.2655450582703605
Energy: 1.2510418321351715
Energy: 1.261162593480859
Energy: 1.2834096724467399
Energy: 1.2293562098997324
Energy: 1.1712840894423495
Energy: 1.2487636307672652
Energy: 1.314634903230889
Energy: 1.2873366928431877
Energy: 1.307413483448917
Energy: 1.2771408996704847
Energy: 1.240344074836155
Energy: 1.1958991802622816
Energy: 1.2550715913195607
Energy: 1.2406977599184792
Energy: 1.400793515255002
Energy: 1.4092900062543738
Energy: 1.445206315450909
Energy: 1.2493538492980185
Energy: 1.4569052290317486
Energy: 1.3784081988477368
Energy: 1.1954992223596608
Energy: 1.309189158045013
Energy: 1.2359184775558862
Energy: 1.3063140593432963
Energy: 1.3703827108011681
Energy: 1.3067535072007042
Energy: 1.4367961761571115
Energy: 1.3959588469976387
Energy: 1.3096191229967133
Energy: 1.3608699960679764
Energy: 1.4490516992057099
Energy: 1.296666000388746
Energy: 1.4247389008585325
Energy: 1.4756109496619114
Energy: 1.3335042703705313
Energy: 1.399694257256525
Energy: 1.3184915171667537
Energy: 1.4080683198583608
Energy: 1.485199137374204
Energy: 1.1716024932279465
Energy: 1.4247213793478932
Energy: 1.3481009558348165
Energy: 1.3750361016899353
Energy: 1.3606846576718983
Energy: 1.2802889670021582
Energy: 1.295937260995666
Energy: 1.4233061937351188
Energy: 1.5122603989267969

minimum gb energy = 1.1703517053141776 eV
minimum distance =  2.59334400366104 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.4801710547574933
Energy: 1.5324267510874656
Energy: 1.4362960911524407
Energy: 1.5273223554389477
Energy: 1.4925484135529004
Energy: 1.4464489803003793
Energy: 1.5490136866917845
Energy: 1.433132682605997
Energy: 1.5066821769976224
Energy: 1.4865273649887114
Energy: 1.5639516078931868
Energy: 1.5182444329040468
Energy: 1.4898467310901036
Energy: 1.5774181960538542
Energy: 1.49684457115323
Energy: 1.4843394102012362
Energy: 1.4389793117398644
Energy: 1.4686938691035434
Energy: 1.4624922333383186
Energy: 1.446965450485621
Energy: 1.513244753859408
Energy: 1.4014050471936765
Energy: 1.5472720734062289
Energy: 1.424807388417024
Energy: 1.4940439420963487
Energy: 1.4815581809692442
Energy: 1.4191062737144766
Energy: 1.5474854767187602
Energy: 1.405961859807425
Energy: 1.5072582354864612
Energy: 1.4710209139291617
Energy: 1.4543771310786338
Energy: 1.4461256596791816
Energy: 1.4135911787484734
Energy: 1.4212427176980658
Energy: 1.319265714876473
Energy: 1.4217160268054965
Energy: 1.4387012089681877
Energy: 1.4812118030329697
Energy: 1.336980133039606
Energy: 1.31984407729155
Energy: 1.4582690597648884
Energy: 1.4074897450032868
Energy: 1.4003052211423626
Energy: 1.4269786301564704
Energy: 1.3131576475869295
Energy: 1.3799535106843528
Energy: 1.3801185423401743
Energy: 1.4905629488381476
Energy: 1.3660364476992615
Energy: 1.3183352671717758
Energy: 1.4359427510400762
Energy: 1.4715504030665945
Energy: 1.4011560066683175
Energy: 1.4075739202990691
Energy: 1.3678365104912893
Energy: 1.3701550846874249
Energy: 1.3978013240757508
Energy: 1.3886692606018844
Energy: 1.3636449072397845
Energy: 1.4029354278640784
Energy: 1.4267820414370438
Energy: 1.4370460578642872
Energy: 1.394671059749403
Energy: 1.450519907538126
Energy: 1.4079385553201191
Energy: 1.4137219985479448
Energy: 1.331494226583334
Energy: 1.3615496117666335
Energy: 1.363987356660352
Energy: 1.3615559164067152
Energy: 1.366034870890319
Energy: 1.3097397107847062
Energy: 1.328020586175703
Energy: 1.4223575877462085
Energy: 1.362443994161625
Energy: 1.3883009201140122
Energy: 1.4005416187865418
Energy: 1.3858533454969573
Energy: 1.4230218783347852
Energy: 1.420666791267536
Energy: 1.3608107735681785
Energy: 1.3792119489236094
Energy: 1.4703962325013997
Energy: 1.4272285956033346
Energy: 1.3062304138302812
Energy: 1.419102833630617
Energy: 1.4308935831787413
Energy: 1.451671974821382
Energy: 1.3463948704600641
Energy: 1.3384606305301217
Energy: 1.4560454709083879
Energy: 1.4151404742546463
Energy: 1.4886858607912439
Energy: 1.3858723877030799
Energy: 1.3203816289808605
Energy: 1.3292893636552547
Energy: 1.4270212749938553
Energy: 1.3191842280133927
Energy: 1.4423842512449037
Energy: 1.3616614885942915
Energy: 1.4268933636476735
Energy: 1.2931646321545989
Energy: 1.4213316168665004
Energy: 1.4035138052446379
Energy: 1.3906104136177386
Energy: 1.4129367848432801
Energy: 1.4038371160275471
Energy: 1.4596105583173276
Energy: 1.4318182456174886
Energy: 1.4315356029742725
Energy: 1.4300453711533285
Energy: 1.358005574071648
Energy: 1.4754342943782575
Energy: 1.367261326601827
Energy: 1.3814981349838271
Energy: 1.4309040217783413
Energy: 1.4249165558250256
Energy: 1.5200420355215476
Energy: 1.359800959476712
Energy: 1.4619653930605758
Energy: 1.417327046528104
Energy: 1.472179669238108
Energy: 1.3948246038612304
Energy: 1.4212967069171607
Energy: 1.4069201571333276
Energy: 1.4529352787485301
Energy: 1.4784566468835019
Energy: 1.479618212639711
Energy: 1.4919889755545306
Energy: 1.517504930975533
Energy: 1.524829459128119
Energy: 1.5077684474009707
Energy: 1.4373660961236068
Energy: 1.5474660778905278
Energy: 1.4191580502409926
Energy: 1.5110720873386843
Energy: 1.4752599699811577
Energy: 1.4601489898569235
Energy: 1.5688338789124776
Energy: 1.4936704160262522
Energy: 1.4648314719247575
Energy: 1.460686713578816
Energy: 1.5205720824666102
Energy: 1.4794196920008118
Energy: 1.4070312281958641
Energy: 1.5470470896910664
Energy: 1.4603489970826458
Energy: 1.5718314121120718
Energy: 1.4117319916549247
Energy: 1.5315149445291958
Energy: 1.4767065412153362
Energy: 1.407822212239762
Energy: 1.5788971832841148
Energy: 1.4862855372949144
Energy: 1.5177069498006832
Energy: 1.4401875855873232
Energy: 1.4765608572331108
Energy: 1.491649384588636
Energy: 1.4454063552729914
Energy: 1.5476830393540566
Energy: 1.4920009976558024
Energy: 1.5038302448105227
Energy: 1.4996660843225589
Energy: 1.5339846663123127
Energy: 1.5200629009485445
Energy: 1.4853535337666486
Energy: 1.5864154757216882
Energy: 1.415865893626693
Energy: 1.4705848793829652
Energy: 1.4552719572623392
Energy: 1.4699180426975642
Energy: 1.3968921529598832
Energy: 1.44611468295485
Energy: 1.5522741030215432
Energy: 1.3999620385868465
Energy: 1.5272143854858626
Energy: 1.4248755397582658
Energy: 1.4905405321419465
Energy: 1.478312335719335
Energy: 1.4022002509519929
Energy: 1.5487797970459452
Energy: 1.4473985876212598
Energy: 1.5223958379439646
Energy: 1.422015514724906
Energy: 1.4372783515096346
Energy: 1.4898019071628683
Energy: 1.4183522479251802
Energy: 1.4248252774598424
Energy: 1.3190964523419815
Energy: 1.4221874776573817
Energy: 1.4136425509447916
Energy: 1.4729915319230258
Energy: 1.3331052168938289
Energy: 1.3600944474296384
Energy: 1.4553472089684163
Energy: 1.4113637143482585
Energy: 1.4029466314322476
Energy: 1.4227882011850856
Energy: 1.4413554592453364
Energy: 1.3842009896616945
Energy: 1.3735871612987447
Energy: 1.4948991960343094
Energy: 1.3884977980337
Energy: 1.319299482701245
Energy: 1.3819594773109833
Energy: 1.4757709656815239
Energy: 1.415454556510579
Energy: 1.3719149812912295
Energy: 1.3662748358449315
Energy: 1.3524583535680912
Energy: 1.3788987082212183
Energy: 1.388942015863439
Energy: 1.4555500498266027
Energy: 1.402734044261185
Energy: 1.4272883746879188
Energy: 1.4395094478293917
Energy: 1.3439334925321758
Energy: 1.4539896805822499
Energy: 1.4282953042214077
Energy: 1.3562869360992953
Energy: 1.3336263795214276
Energy: 1.4063438896422236
Energy: 1.3609665211674917
Energy: 1.3923451191385579
Energy: 1.3677705871862782
Energy: 1.3925976323329072
Energy: 1.3284549047089842
Energy: 1.3958028580298165
Energy: 1.3610467231676797
Energy: 1.3877566036112576
Energy: 1.3790089367343028
Energy: 1.376668174351171
Energy: 1.4239040033050505
Energy: 1.441980732065062
Energy: 1.4004231167548005
Energy: 1.384911182809737
Energy: 1.434516858985462
Energy: 1.358882269110743
Energy: 1.3070492744058662
Energy: 1.4203392691578076
Energy: 1.4379573621953845
Energy: 1.4068443847347503
Energy: 1.377185551022488
Energy: 1.3453269132141306
Energy: 1.4127173179210817
Energy: 1.3418734335331226
Energy: 1.4830746143614157
Energy: 1.364387607792955
Energy: 1.3377778112356355
Energy: 1.425609723860542
Energy: 1.4353068351495382
Energy: 1.3360451768502903
Energy: 1.4648268495992884
Energy: 1.3711506109475027
Energy: 1.425830361576844
Energy: 1.2927411601924121
Energy: 1.444507474686535
Energy: 1.4229709277214269
Energy: 1.386565438602965
Energy: 1.4085230199434315
Energy: 1.4045851279886115
Energy: 1.4103240463552338
Energy: 1.4476804926018991
Energy: 1.4279220156484276
Energy: 1.4315598045428872
Energy: 1.357426372947027
Energy: 1.5811217373935778
Energy: 1.3687888797990886
Energy: 1.4459444467948988
Energy: 1.4306584787722338
Energy: 1.3639924292878818
Energy: 1.5191649064852275
Energy: 1.357757870496027
Energy: 1.4376536316514872
Energy: 1.3898953012616042
Energy: 1.4706977912786927
Energy: 1.459578058378916
Energy: 1.4214737429494613
Energy: 1.4616961524382768
Energy: 1.4542602770941042
Energy: 1.475968113631128
Energy: 1.4389960657423602
Energy: 1.5275114984788876
Energy: 1.5178333473596772
Energy: 1.5359791893605474
Energy: 1.47236513707277
Energy: 1.4435664548401828
Energy: 1.5313978219415119
Energy: 1.4194013617547943
Energy: 1.5169739518635132
Energy: 1.5081705909033467
Energy: 1.4612943105937586
Energy: 1.565131483074023
Energy: 1.4842649497685423
Energy: 1.5592387105834813
Energy: 1.416530441455868
Energy: 1.5126472800811444
Energy: 1.4774963102340146
Energy: 1.3743842409038942
Energy: 1.5260143149701502
Energy: 1.4633461642594983
Energy: 1.4997435086665578
Energy: 1.4139174155076055
Energy: 1.533527883785838
Energy: 1.4798586783013556
Energy: 1.4292733805405653
Energy: 1.489322420254102
Energy: 1.4862206696936697
Energy: 1.5246458755629235
Energy: 1.4831995393118071
Energy: 1.4790238874916584
Energy: 1.492839408934595
Energy: 1.4452743839127602
Energy: 1.5537070760113205

minimum gb energy = 1.2927411601924121 eV
minimum distance =  2.60713762882869 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.3495432459358312
Energy: 1.5381728940827277
Energy: 1.340175239063309
Energy: 1.3324071912497075
Energy: 1.3312679842240593
Energy: 1.3384591775669443
Energy: 1.3463549685945801
Energy: 1.3912191077464149
Energy: 1.5055617672042505
Energy: 1.3737274074664918
Energy: 1.2915268675682463
Energy: 1.2903066449559815
Energy: 1.3723637784013007
Energy: 1.4593921485327226
Energy: 1.398171547156415
Energy: 1.5338448282320576
Energy: 1.2838995778083455
Energy: 1.2972389165678901
Energy: 1.297785496881311
Energy: 1.2859411420891722
Energy: 1.3022494090253367
Energy: 1.3599811199894605
Energy: 1.536239032120575
Energy: 1.3011228385330584
Energy: 1.2983857644697905
Energy: 1.3006622133731185
Energy: 1.298753714820031
Energy: 1.2998001848783816
Energy: 1.2641970266052207
Energy: 1.4445785529654
Energy: 1.2666103248846805
Energy: 1.5935204079419079
Energy: 1.3731146662739684
Energy: 1.266294068863673
Energy: 1.4398957852196574
Energy: 1.3507482420538528
Energy: 1.6070991914602843
Energy: 1.3410768894055791
Energy: 1.3380613482819608
Energy: 1.2986340747963498
Energy: 1.3347703280321501
Energy: 1.2966631177723562
Energy: 1.398590174433621
Energy: 1.509335587022742
Energy: 1.2955120482961153
Energy: 1.2978769091859457
Energy: 1.2902832838723177
Energy: 1.283784337442561
Energy: 1.5089676361936273
Energy: 1.3976513113633258
Energy: 1.5190794729622232
Energy: 1.283296649559677
Energy: 1.2972107223096796
Energy: 1.2913444742777838
Energy: 1.2834798396129392
Energy: 1.5110585394307625
Energy: 1.353931649368502
Energy: 1.612043047774154
Energy: 1.3394842055334921
Energy: 1.2987536937839492
Energy: 1.2995729995105758
Energy: 1.3559147137395593
Energy: 1.2975708818271094
Energy: 1.393731565593783
Energy: 1.4575972922059282
Energy: 1.2648293653505696
Energy: 1.5956595303756909
Energy: 1.5929811765074784
Energy: 1.2666279499118465
Energy: 1.4526681374156598
Energy: 1.35521170850623
Energy: 1.6136992097336647
Energy: 1.3396531200415633
Energy: 1.2978612147749526
Energy: 1.3003303001501751
Energy: 1.3018399701859484
Energy: 1.297250048766036
Energy: 1.3982796674189888
Energy: 1.5343596535606676
Energy: 1.283846456856271
Energy: 1.297802629637401
Energy: 1.298060640681034
Energy: 1.2833217995654462
Energy: 1.511609896494932
Energy: 1.3975663890461143
Energy: 1.510876436044712
Energy: 1.352314456783421
Energy: 1.2914882234549638
Energy: 1.2907567305475296
Energy: 1.2944281325989149
Energy: 1.4578727418985618
Energy: 1.3495120770421525
Energy: 1.5391875679079066
Energy: 1.3402470665315473
Energy: 1.298003644912781
Energy: 1.3351533179129655
Energy: 1.3397306445370383
Energy: 1.3417927504253062
Energy: 1.2651339030534217
Energy: 1.4492569046876265
Energy: 1.2648370494172576
Energy: 1.3869722448036022
Energy: 1.2919785050169768
Energy: 1.3723294533587262
Energy: 1.4599008019009885
Energy: 1.3682206288829932
Energy: 1.5346838029682845
Energy: 1.2920065034601609
Energy: 1.2978535445337114
Energy: 1.2994433462425
Energy: 1.2917432770694264
Energy: 1.3002977427035578
Energy: 1.3975949029644323
Energy: 1.533405743763318
Energy: 1.2866902268447884
Energy: 1.2977454997878535
Energy: 1.2991869001076561
Energy: 1.2938153386687048
Energy: 1.3028209911341826
Energy: 1.265103903919449
Energy: 1.4579216538001305
Energy: 1.3733534511890828
Energy: 1.2913555192450998
Energy: 1.291480196182945
Energy: 1.3719990126589139
Energy: 1.457344517559088
Energy: 1.3480101200576933
Energy: 1.538636663958806
Energy: 1.3405036864560367
Energy: 1.2995178892825536
Energy: 1.3321043539381516
Energy: 1.3388691360540734
Energy: 1.344266183653445
Energy: 1.389729618345969
Energy: 1.5078021070179806
Energy: 1.3726599753727244
Energy: 1.2914556346495647
Energy: 1.290826176228258
Energy: 1.2934763307678125
Energy: 1.4485861613921711

minimum gb energy = 1.2641970266052207 eV
minimum distance =  2.72513077969991 Angstroms
sigma value = 23